MMsINC Database Search


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MMsINC code: MMs02937243

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)NC(c1cc(ccc1C)C)c1ccccc1

InChI:

InChI=1/C23H23NO2/c1-16-12-13-17(2)21(14-16)22(18-8-5-4-6-9-18)24-23(25)19-10-7-11-20(15-19)26-3/h4-15,22H,1-3H3,(H,24,25)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.425 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -6.06503	SlogP: 4.92694	Reactive groups: 0

Topological Properties
Globularity: 0.142452	Sterimol/B1: 2.25872	Sterimol/B2: 3.90245	Sterimol/B3: 5.74361
Sterimol/B4: 10.0248	Sterimol/L: 16.3646

Surface and Volume Properties
Accessible surface: 631.805	Positive charged surface: 378.146	Negative charged surface: 253.658	Volume: 353.25
Hydrophobic surface: 593.172	Hydrophilic surface: 38.633

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.